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14143-27-2 | Phenol, 3-methyl-4-(methylthio)-, 1-acetate
CAS No: 14143-27-2 Catalog No: AG001GDF MDL No:
Product Description
Catalog Number:
AG001GDF
Chemical Name:
Phenol, 3-methyl-4-(methylthio)-, 1-acetate
CAS Number:
14143-27-2
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
IUPAC Name:
(3-methyl-4-methylsulfanylphenyl) acetate
InChI:
InChI=1S/C10H12O2S/c1-7-6-9(12-8(2)11)4-5-10(7)13-3/h4-6H,1-3H3
InChI Key:
DVMLSOIBVZINOH-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1C)OC(=O)C
NSC Number:
108658
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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